(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide

C11H6N6 — CID 135723236

IUPAC(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide
SMILES[H]/N=C(C#N)/C(C#N)=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C11H6N6/c12-5-7(14)10(6-13)17-11-15-8-3-1-2-4-9(8)16-11/h1-4,14H,(H,15,16)/b14-7+,17-10+
InChIKeyBFXBIYZCMOHRII-INXVSMFASA-N
MW222.21 g/mol
LogP1.70
Rot. Bonds2

About (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide

(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide (PubChem CID 135723236) has the molecular formula C11H6N6 and a molecular weight of 222.21 g/mol. Its IUPAC name is (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide.

Molecular Properties

Compound Name(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide
PubChem CID135723236
Molecular FormulaC11H6N6
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide
SMILES[H]/N=C(C#N)/C(C#N)=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C11H6N6/c12-5-7(14)10(6-13)17-11-15-8-3-1-2-4-9(8)16-11/h1-4,14H,(H,15,16)/b14-7+,17-10+
InChIKeyBFXBIYZCMOHRII-INXVSMFASA-N
XLogP1.70
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide?
The IUPAC name of (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide (CID 135723236) is (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide.
What is the SMILES notation for (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide?
The canonical SMILES for (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide is [H]/N=C(C#N)/C(C#N)=N/c1nc2ccccc2[nH]1.
What is the InChIKey of (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide?
The InChIKey is BFXBIYZCMOHRII-INXVSMFASA-N. The full InChI is InChI=1S/C11H6N6/c12-5-7(14)10(6-13)17-11-15-8-3-1-2-4-9(8)16-11/h1-4,14H,(H,15,16)/b14-7+,17-10+.
What are the key properties of (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide?
(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide has a molecular weight of 222.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide is sourced from PubChem (CID 135723236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).